The Effect of Pressure on Phase Stability and Mechanical Properties of Ti‐<i>x</i>Sn Alloys

The reaction of Sn trace element with Ti will produce metal compounds and affect the mechanical properties of Ti‐Sn alloy. Herein, Ti‐ x Sn ( x = 5, 10, 15, 20, 25 wt%) alloy is prepared by laser cladding technology. The phase composition is detected by X‐ray diffraction. The effects of pressure on the mechanical properties and electronic structures of Ti 3 Sn, Ti 2 Sn compounds, α‐Ti, and β‐Ti are calculated by first principles. The results show that there are four phases of Ti 3 Sn, Ti 2 Sn, α‐Ti, and β‐Ti in the alloy. The calculation shows that Ti 2 Sn has the highest Young's modulus (154.97 GPa) and hardness (837.75 HV), followed by α‐Ti and Ti 3 Sn, and β‐Ti has the lowest. The hardness calculation results show that Ti 2 Sn has the highest hardness (837.75 HV), α‐Ti (561.22 HV), and Ti 3 Sn (290.81 HV), and β‐Ti has the lowest hardness (128.57 HV). The electron accumulation of each phase increases with the increase of pressure, and the covalent bond of Ti 3 Sn and Ti 2 Sn is strengthened. In particular, the presence of Ti 2 Sn significantly improves the hardness of the Ti‐25Sn alloy. This research elucidates Ti‐Sn compound phase stability and hardness, confirms the accuracy of the first principle, and provides valuable insights for the design of alloy compositions.